... | ... | @@ -7,7 +7,7 @@ Parser Assignment |
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| status | code | repository | integrated | maintainer CoE|FAIRDI| total number of metainfo | number of parser specific metainfo |code stats | notes | k-mesh | density of states | band- structure | eigen- values | forces| energies| computational parameters | other possible quantities| highest version supported | new version available| main files|
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| ![OK](images/ok.png) | [FHI-aims](https://aimsclub.fhi-berlin.mpg.de/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-fhi-aims) | yes | Fawzi Mohamed - fawzi.mohamed *at* fhi-berlin.mpg.de | |266 | 95 | cloc: 1818 (148 commits) | ParserInterface | ![OK](images/ok.png) | ![OK](images/ok.png) | ![OK](images/ok.png) |![OK](images/ok.png) |![OK](images/ok.png) |![OK](images/ok.png) |||100813|171221_1|*stdout*|
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| ![OK](images/ok.png) | [Qhp](https://aimsclub.fhi-berlin.mpg.de/) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-quasi-harmonic-properties) | yes | Hagen-Henrik Kowalski - kowalski *at* fhi-berlin.mpg.de | | | | cloc: 98 (24 commits) | | | | | |
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| ![OK](images/warn.png) | [Qhp](https://aimsclub.fhi-berlin.mpg.de/) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-quasi-harmonic-properties) | yes | Hagen-Henrik Kowalski - kowalski *at* fhi-berlin.mpg.de | | | | cloc: 98 (24 commits) | | | | | |
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| ![OK](images/ok.png) | [Phonopy](https://aimsclub.fhi-berlin.mpg.de/) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-phonopy) | yes | Hagen-Henrik Kowalski - kowalski *at* fhi-berlin.mpg.de | | 108 | 3 | cloc: 544 (53 commits) | |- |![OK](images/ok.png) | ![OK](images/ok.png)|- |-|![OK](images/ok.png)| | |1.10.10 | 20111113 | |
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| ![OK](images/ok.png) | [VASP](https://www.vasp.at/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-vasp) | yes | Fawzi Mohamed - fawzi.mohamed *at* fhi-berlin.mpg.de | | 223 | 92 | cloc: 995 (68 commits) | ParserInterface | ![OK](images/ok.png) | ![OK](images/ok.png) | ![OK](images/ok.png) |![OK](images/ok.png) | |![OK](images/ok.png) | | |4.6.35 3Apr08 complex serial LinuxIFC | 5.4.4.18Apr17 | vasprun.xml or OUTCAR|
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| ![OK](images/ok.png) | [turbomole](http://www.turbomole.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-turbomole) | yes | Aliaksei Mazheika - mazheika *at* fhi-berlin.mpg.de, Arvid Ihrig - ihrig *at* fhi-berlin.mpg.de| |127 | 34 |cloc 2795 (173 commits) | |- | -|- |![OK](images/ok.png) |![OK](images/ok.png) |![OK](images/ok.png) | | |"rev." | 7.3 (July 2018)| primary output, control|
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... | ... | @@ -26,8 +26,8 @@ Parser Assignment |
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| ![OK](images/ok.png) | [WIEN2k](http://www.wien2k.at/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-wien2k) | yes | Daria Tomecka - tomecka *at* fhi-berlin.mpg.de || ||cloc: 464 (54 commits) | |||| | ![OK](images/ok.png)|![OK](images/ok.png) |||14.2 15/10/2014|WIEN2k 18.2 (Release 07/17/2018)|*.scf|
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| ![OK](images/ok.png) | [ELK](http://elk.sourceforge.net/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-elk) | yes | Lorenzo Pardini - lorenzo.pardini *at* physik.hu-berlin.de | | 147 | 56 | cloc: 278 (35 commits) | | ![OK](images/ok.png) | -|- | ![OK](images/ok.png) |-|![OK](images/ok.png) |||||INFO.OUT|
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| ![OK](images/ok.png) | [FLEUR](http://www.flapw.de/pm/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-fleur) | yes | Daria Tomecka - tomecka *at* fhi-berlin.mpg.de || 79 | 50 |cloc: 290 (29 commits) | |![OK](images/ok.png) | | | | ![OK](images/ok.png)|![OK](images/ok.png) |||fleur.26e|FLEUR MaX Release 3 of Version 0.27 |*stdout*|
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| | [FPLO](http://www.fplo.de/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-fplo) | no | Henning Glawe - henning.glawe *at* mpsd.mpg.de | | || cloc:1288 (113 commits) | ||||||||||2018 release||
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| | [elastic](http://www.fplo.de/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-elastic) | yes | Lorenzo Pardini - lorenzo.pardini at physik.hu-berlin.de | | 61 | 34| cloc: 1102 (37 commits) | |-|- |- |![OK](images/ok.png)|-|-||||||
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|![OK](images/warn.png) | [FPLO](http://www.fplo.de/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-fplo) | no | Henning Glawe - henning.glawe *at* mpsd.mpg.de | | || cloc:1288 (113 commits) | ||||||||||2018 release||
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| ![OK](images/ok.png) | [elastic](http://www.fplo.de/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-elastic) | yes | Lorenzo Pardini - lorenzo.pardini at physik.hu-berlin.de | | 61 | 34| cloc: 1102 (37 commits) | |-|- |- |![OK](images/ok.png)|-|-||||||
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* UB
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... | ... | @@ -37,7 +37,7 @@ Parser Assignment |
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| status | code | repository | integrated | maintainer CoE|FAIRDI| total number of metainfo | number of parser specific metainfo |code stats | notes | k-mesh | density of states | band- structure | eigen- values | forces| energies| computational parameters | other possible quantities| version supported | new version available| main files|
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|------|------|-------|-------|------------|-------|------|-------|---|---|--|--|--|--|--|--|--|--|--|--|--|
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| ![OK](images/ok.png) | [Gaussian](http://www.gaussian.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gaussian) | yes | Rosendo Valero - rosendo.valero *at* gmail.com | |143|72| cloc: 1405 (52 commits) | |-|-|-|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|||09|16|*stdout*|
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| ![WARN](images/warn.png) | [GAMESS](http://www.msg.ameslab.gov/gamess/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gamess) | yes | Rosendo Valero - rosendo.valero *at* gmail.com | | 42 | 87 | cloc: 1206 (20 commits) | |-|-|-|![OK](images/ok.png)|-|![OK](images/ok.png)|||12 JAN 2009|Sept 30, 2018 R3 Public Release||
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| ![WARN](images/ok.png) | [GAMESS](http://www.msg.ameslab.gov/gamess/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gamess) | yes | Rosendo Valero - rosendo.valero *at* gmail.com | | 42 | 87 | cloc: 1206 (20 commits) | |-|-|-|![OK](images/ok.png)|-|![OK](images/ok.png)|||12 JAN 2009|Sept 30, 2018 R3 Public Release||
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| ![OK](images/ok.png) | [SIESTA](http://departments.icmab.es/leem/siesta/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-siesta) | yes | Ask Larsen - asklarsen *at* gmail.com | |197|98| cloc: 932 (50 commits) | |![OK](images/ok.png)|-|-|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|||siesta-4.0--500|siesta-4.1-b4|*stdout*|
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| ![OK](images/ok.png) | [Molcas](http://www.molcas.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-molcas) | yes | Rosendo Valero - rosendo.valero *at* gmail.com | | 47 |5| cloc: 566 (27 commits) | |-|-|-|![OK](images/ok.png)|-|![OK](images/ok.png)||||8.2|*stdout*|
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... | ... | @@ -61,17 +61,17 @@ Parser Assignment |
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| status | code | repository | integrated | maintainer CoE|FAIRDI| total number of metainfo | number of parser specific metainfo |code stats | notes | k-mesh | density of states | band- structure | eigen- values | forces| energies| computational parameters | other possible quantities| version supported | new version available| main files|
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|------|------|-------|-------|------------|-------|------|-------|---|---|--|--|--|--|--|--|--|--|--|--|--|
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| ![OK](images/ok.png) | [TINKER](http://dasher.wustl.edu/tinker/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-tinker) | yes | Berk Onat - b.onat *at* warwick.ac.uk | | ||cloc: 3147 (9 commits) | - |
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| ![OK](images/warn.png) | [TINKER](http://dasher.wustl.edu/tinker/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-tinker) | yes | Berk Onat - b.onat *at* warwick.ac.uk | | ||cloc: 3147 (9 commits) | - |
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| ![OK](images/ok.png) | [NAMD](http://www.ks.uiuc.edu/Research/namd/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-namd) | yes | Berk Onat - b.onat *at* warwick.ac.uk | |114|75| cloc: 2189 (22 commits) | - |-|-|-|-|-|![OK](images/ok.png)|
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| ![OK](images/ok.png) | [GULP](http://nanochemistry.curtin.edu.au/gulp/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gulp) | yes | Ask Larsen - asklarsen *at* gmail.com | |96|48| cloc: 579 (33 commits) | |-|-|-|-|![OK](images/ok.png)|![OK](images/ok.png)|
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| ![OK](images/ok.png) | [CHARMM](http://www.charmm.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-charmm) | yes | Berk Onat - b.onat *at* warwick.ac.uk |||| cloc: 4840 (20 commits) | |
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| ![OK](images/warn.png) | [CHARMM](http://www.charmm.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-charmm) | yes | Berk Onat - b.onat *at* warwick.ac.uk |||| cloc: 4840 (20 commits) | |
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| ![OK](images/ok.png) | [DL\_POLY](http://www.stfc.ac.uk/SCD/research/app/44516.aspx) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dl-poly) | yes | Carl Poelking - cp605 *at* cam.ac.uk || 60 |5|cloc: 1439 (38 commits) | |-|-|-|-|![OK](images/ok.png)|![OK](images/ok.png)|
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| ![OK](images/ok.png) | [QUIP /libatoms/GAP](http://www.libatoms.org/Home/LibAtomsQUIP) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lib-atoms) | yes | Carl Poelking - cp605 *at* cam.ac.uk| | || cloc:1043 (14 commits) | |
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| ![OK](images/warn.png) | [QUIP /libatoms/GAP](http://www.libatoms.org/Home/LibAtomsQUIP) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lib-atoms) | yes | Carl Poelking - cp605 *at* cam.ac.uk| | || cloc:1043 (14 commits) | |
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| ![WARN](images/warn.png) | [LAMMPS](http://lammps.sandia.gov/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lammps) | yes | Adam Fekete - adam.fekete *at* kcl.ac.uk (originally KCL) |||| cloc: 5177 (188 commits) | ParserInterface |
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| ![OK](images/ok.png) | [gromacs](http://www.gromacs.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gromacs) | yes | Berk Onat - b.onat *at* warwick.ac.uk || || cloc: 2554 (33 commits) (*) | *Additional 4930 lines of code is added in python-common repo under MDDataAccess, SmartParser, and MetaInfoStorage packages. |
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| ![OK](images/ok.png)| [Amber](http://ambermd.org/) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-amber) | yes | Berk Onat - b.onat *at* warwick.ac.uk |||| cloc: 3008 (43 commits) | |
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| ![OK](images/ok.png) | [GROMOS](http://www.gromos.net/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gromos) | yes | Berk Onat - b.onat *at* warwick.ac.uk || || cloc: 2861 (19 commits) | |
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| ![OK](images/ok.png) | [OpenKIM](https://openkim.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-openkim) | - | Berk Onat - b.onat *at* warwick.ac.uk || || cloc: 418 (1 commits) | |
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| ![OK](images/warn.png) | [gromacs](http://www.gromacs.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gromacs) | yes | Berk Onat - b.onat *at* warwick.ac.uk || || cloc: 2554 (33 commits) (*) | *Additional 4930 lines of code is added in python-common repo under MDDataAccess, SmartParser, and MetaInfoStorage packages. |
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| ![OK](images/warn.png)| [Amber](http://ambermd.org/) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-amber) | yes | Berk Onat - b.onat *at* warwick.ac.uk |||| cloc: 3008 (43 commits) | |
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| ![OK](images/warn.png) | [GROMOS](http://www.gromos.net/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gromos) | yes | Berk Onat - b.onat *at* warwick.ac.uk || || cloc: 2861 (19 commits) | |
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| ![OK](images/warn.png) | [OpenKIM](https://openkim.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-openkim) | - | Berk Onat - b.onat *at* warwick.ac.uk || || cloc: 418 (1 commits) | |
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* AALTO
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* general contact: Lauri Himanen - lauri.himanen *at* gmail.com
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... | ... | @@ -81,7 +81,7 @@ Parser Assignment |
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| ![OK](images/ok.png) | [cp2k](http://www.cp2k.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cp2k) | yes | Lauri Himanen - lauri.himanen *at* aalto.fi | |231|115| cloc: 2954 (195 commits) | ParserInterface | -|-|-|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)| ||||{PROJECT_NAME}.out|
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| ![OK](images/ok.png) | [crystal](http://www.crystal.unito.it/index.php) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-crystal) | yes | Lauri Himanen - lauri.himanen *at* aalto.fi | |394 |293|cloc: 2051 (46 commits) | ParserInterface |![OK](images/ok.png) |-|-|-|![OK](images/ok.png) |![OK](images/ok.png) |||||*.out|
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| ![WARN](images/warn.png) | [CPMD](http://www.cpmd.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cpmd) | yes | Lauri Himanen - lauri.himanen *at* aalto.fi | |140|80| cloc: 1357 (35 commits) | ParserInterface | -|-|-|-|![OK](images/ok.png) |![OK](images/ok.png) |||||*stdout*|
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| ![WARN](images/ok.png) | [CPMD](http://www.cpmd.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cpmd) | yes | Lauri Himanen - lauri.himanen *at* aalto.fi | |140|80| cloc: 1357 (35 commits) | ParserInterface | -|-|-|-|![OK](images/ok.png) |![OK](images/ok.png) |||||*stdout*|
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| ![OK](images/ok.png) | [NWChem](http://www.nwchem-sw.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-nwchem) | yes | Lauri Himanen - lauri.himanen *at* aalto.fi || 157 | 43 | cloc: 1204 (26 commits) | ParserInterface |-|-|-|-|![OK](images/ok.png)|![OK](images/ok.png)|
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| ![OK](images/ok.png) | [BigDFT](http://bigdft.org) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-big-dft) | yes | Lauri Himanen - lauri.himanen *at* aalto.fi || 61 | 0 | cloc: 560 (21 commits) | ParserInterface |-|-|-|-|![OK](images/ok.png)|![OK](images/ok.png)|||||*stdout*|
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... | ... | @@ -91,9 +91,9 @@ Parser Assignment |
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| status | code | repository | integrated | maintainer CoE|FAIRDI| total number of metainfo | number of parser specific metainfo |code stats | notes | k-mesh | density of states | band- structure | eigen- values | forces| energies| computational parameters | other possible quantities| version supported | new version available| main files|
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|------|------|-------|-------|------------|-------|------|-------|---|---|--|--|--|--|--|--|--|--|--|--|--|
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| ![OK](images/ok.png) | [octopus](http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-octopus) | yes | Ask Larsen - asklarsen *at* gmail.com || 331|236| cloc: 963 (68 commits) | |![OK](images/ok.png)|-|-|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|||||inp, exec/paser.log, static/info, geometry files|
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| ![OK](images/ok.png) | [Quantum Espresso](http://www.quantum-espresso.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-quantum-espresso) | yes | Henning Glawe - henning.glawe *at* mpsd.mpg.de | ||| cloc: 3931 (674 commits) | |||||*stdout*|
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| | [Smeagol](https://www.tcd.ie/Physics/Smeagol/index.html) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-smeagol) | yes | Andrea Droghetti - andrea.droghetti *at* ehu.eus, Ask Larsen - asklarsen *at* gmail.com |||| cloc:5 (4 commits) | handled by the siesta parser |||||
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| | [DFTB+](http://www.dftb-plus.info) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dftb-plus) | yes | Adriel Dominguez - adrieldg *at* gmail.com |||| cloc 128 (18 commits) | ||||||
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| ![OK](images/warn.png) | [Quantum Espresso](http://www.quantum-espresso.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-quantum-espresso) | yes | Henning Glawe - henning.glawe *at* mpsd.mpg.de | ||| cloc: 3931 (674 commits) | |||||||||||*stdout*|
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| ![OK](images/warn.png) | [Smeagol](https://www.tcd.ie/Physics/Smeagol/index.html) | [active](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-smeagol) | yes | Andrea Droghetti - andrea.droghetti *at* ehu.eus, Ask Larsen - asklarsen *at* gmail.com |||| cloc:5 (4 commits) | handled by the siesta parser |||||
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| ![OK](images/warn.png) | [DFTB+](http://www.dftb-plus.info) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dftb-plus) | yes | Adriel Dominguez - adrieldg *at* gmail.com |||| cloc 128 (18 commits) | ||||||
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| ![OK](images/ok.png) | [abinit](http://www.abinit.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-abinit) | yes | Micael Oliviera - micael.oliveira *at* mpsd.mpg.de ||194|105| cloc: 1394 (72 commits) | |![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|||8.4.2|8.10.1|primary output|
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* DTU
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... | ... | @@ -102,6 +102,6 @@ Parser Assignment |
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| status | code | repository | integrated | maintainer CoE|FAIRDI| total number of metainfo | number of parser specific metainfo |code stats | notes | k-mesh | density of states | band- structure | eigen- values | forces| energies| computational parameters | other possible quantities| version supported | new version available| main files|
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|------|------|-------|-------|------------|-------|------|-------|---|---|--|--|--|--|--|--|--|--|--|--|--|
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| ![OK](images/ok.png) | [GPAW](https://wiki.fysik.dtu.dk/gpaw/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gpaw) | yes | Mikkel Strange - mikst *at* fysik.dtu.dk | |113 |12|cloc: 474 (79 commits) | | ![OK](images/ok.png)|-|-|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|||||primary output–binary type (*.gpw)|
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| | [MOPAC](http://openmopac.net/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-mopac) | yes | Mikkel Strange - mikst *at* fysik.dtu.dk |||| cloc: 367 (29 commits) | ||||||
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| ![OK](images/ok.png) | [ASAP](https://wiki.fysik.dtu.dk/ase/index.html) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-asap) | yes | Mikkel Strange - mikst *at* fysik.dtu.dk || ||cloc: 206 (32 commits) | ||||||
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| ![OK](images/warn.png) | [MOPAC](http://openmopac.net/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-mopac) | yes | Mikkel Strange - mikst *at* fysik.dtu.dk |||| cloc: 367 (29 commits) | ||||||
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| ![OK](images/warn.png) | [ASAP](https://wiki.fysik.dtu.dk/ase/index.html) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-asap) | yes | Mikkel Strange - mikst *at* fysik.dtu.dk || ||cloc: 206 (32 commits) | ||||||
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| ![OK](images/ok.png) |[ATK](http://quantumwise.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-atk) | yes | Mikkel Strange - mikst *at* fysik.dtu.dk || 55 | 2 | cloc: 648 (30 commits) | |-|-|-|![OK](images/ok.png)|![OK](images/ok.png)|![OK](images/ok.png)|||||| |
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